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PKDPEQHHYDKQQY-UHFFFAOYSA-N
SpectraBase Compound ID 1kNA7Hf7ny5
InChI InChI=1S/C16H11BrN2O4S/c17-14-11-18-19(24(21,22)13-9-5-2-6-10-13)15(14)16(20)23-12-7-3-1-4-8-12/h1-11H
InChIKey PKDPEQHHYDKQQY-UHFFFAOYSA-N
Mol Weight 407.24 g/mol
Molecular Formula C16H11BrN2O4S
Exact Mass 405.962291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ludVcLhMP5
Name PKDPEQHHYDKQQY-UHFFFAOYSA-N
Compound Number 1158
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H11BrN2O4S
InChI InChI=1S/C16H11BrN2O4S/c17-14-11-18-19(24(21,22)13-9-5-2-6-10-13)15(14)16(20)23-12-7-3-1-4-8-12/h1-11H
InChIKey PKDPEQHHYDKQQY-UHFFFAOYSA-N
Literature Reference Author M.BEGTRUP,G.BOYER,P.CABILDO,C.CATIVIELA,R.M.CLARAMUNT,J.ELGU ERO,J.I.GARCIA,C.TOI
Literature Reference Citation MAGN.RES.CHEM.,31,107(1993)
Literature Reference DOI 10.1002/mrc.1260310202
Molecular Weight 407.238 g/mol
Solvent DMSO-D6
Source File Reference UWVP1906